4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C13H18N2O5 — CID 66250151

IUPAC4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZGPAYZJPZFSMCL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.91
Rot. Bonds4

About 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66250151) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66250151
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O5/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyZGPAYZJPZFSMCL-UHFFFAOYSA-N
XLogP0.91
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(furan-2-ylmethylcarbamoylamino)-3-methyloxolane-3-carboxylic acid
CID 66248963
3-methyl-4-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66250152
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163076
1-[[furan-2-ylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197524
1-[[[furan-2-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434026
4-[[2-[acetyl(methyl)amino]acetyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66248319
4-[(4-hydroxybenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66254723
4-[[4-(hydroxymethyl)benzoyl]amino]-3-methyloxolane-3-carboxylic acid
CID 66250277
4-[(2-benzylsulfanylacetyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66257200
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
4-[(4-carbamoylbenzoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66256427
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53497871

Frequently Asked Questions

What is the IUPAC name of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66250151) is 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CN(Cc1ccco1)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is ZGPAYZJPZFSMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(11(16)17)8-19-7-10(13)14-12(18)15(2)6-9-4-3-5-20-9/h3-5,10H,6-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).